3-(2-Thienyl)-5-isoxazolecarboxylic Acid - CAS 204910-49-6
Catalog: |
BB057438 |
Product Name: |
3-(2-Thienyl)-5-isoxazolecarboxylic Acid |
CAS: |
204910-49-6 |
Synonyms: |
3-(2-Thienyl)-5-isoxazolecarboxylic Acid; 3-thiophen-2-yl-1,2-oxazole-5-carboxylic acid; 3-(Thiophen-2-yl)isoxazole-5-carboxylic acid; 3-(thiophen-2-yl)-1,2-oxazole-5-carboxylic acid |
IUPAC Name: | 3-thiophen-2-yl-1,2-oxazole-5-carboxylic acid |
Description: | 3-(2-Thienyl)-5-isoxazolecarboxylic Acid is used in the synthesis of oxazolidinone antibacterial agents which include substituted isoxazoles. |
Molecular Weight: | 195.2 |
Molecular Formula: | C8H5NO3S |
Canonical SMILES: | C1=CSC(=C1)C2=NOC(=C2)C(=O)O |
InChI: | InChI=1S/C8H5NO3S/c10-8(11)6-4-5(9-12-6)7-2-1-3-13-7/h1-4H,(H,10,11) |
InChI Key: | ZIZYDOPDWVOYAZ-UHFFFAOYSA-N |
References: | Pae, A. et al. Bioorg. Med. Chem. Lett., 9, 2679 (1999). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.9990142 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.9990142 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 91.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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